4-[2-[5-chloranyl-1-(diphenylmethyl)-2-[(phenethylsulfonylamino)methyl]indol-3-yl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[5-chloranyl-1-(diphenylmethyl)-2-[(phenethylsulfonylamino)methyl]indol-3-yl]ethoxy]benzoic acid Openeye Name: 4-[2-[1-benzhydryl-5-chloro-2-[(phenethylsulfonylamino)methyl]indol-3-yl]ethoxy]benzoic acid CAS Name: 4-[2-[5-chloro-1-(diphenylmethyl)-2-[(phenethylsulfonylamino)methyl]-3-indolyl]ethoxy]benzoic acid IUPAC Name: 4-[2-[1-benzhydryl-5-chloro-2-[(phenethylsulfonylamino)methyl]indol-3-yl]ethoxy]benzoic acid Traditional Name: 4-[2-[1-benzhydryl-5-chloro-2-[(phenethylsulfonylamino)methyl]indol-3-yl]ethoxy]benzoic acid Formula: C39H35ClN2O5S MolecularWeight: 679.2236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCS(=O)(=O)NCC2=C(C3=C(N2C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C3)Cl)CCOC6=CC=C(C=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCS(=O)(=O)NCC2=C(C3=C(N2C(C4=CC=CC=C4)C5=CC=CC=C5)C=CC(=C3)Cl)CCOC6=CC=C(C=C6)C(=O)O

InChI

InChI=1S/C39H35ClN2O5S/c40-32-18-21-36-35(26-32)34(22-24-47-33-19-16-31(17-20-33)39(43)44)37(27-41-48(45,46)25-23-28-10-4-1-5-11-28)42(36)38(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-21,26,38,41H,22-25,27H2,(H,43,44)